> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
|
3,4-Dihydroxybenzoic acid
|
72 |
Click to see
C1=CC(=C(C=C1C(=O)O)O)O
|
154.12 |
unknown |
https://doi.org/10.1021/NP0600999 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Galloyl esters
|
Ethyl gallate
|
13250 |
Click to see
CCOC(=O)C1=CC(=C(C(=C1)O)O)O
|
198.17 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Salicylic acid and derivatives / Salicylic acids
|
2,3,4-Trihydroxybenzoic acid
|
11874 |
Click to see
C1=CC(=C(C(=C1C(=O)O)O)O)O
|
170.12 |
unknown |
https://doi.org/10.1021/NP0600999 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters
|
Protocatechuic acid, methyl ester
|
287064 |
Click to see
COC(=O)C1=CC(=C(C=C1)O)O
|
168.15 |
unknown |
https://doi.org/10.1021/NP0600999 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
Arachidic Acid
|
10467 |
Click to see
CCCCCCCCCCCCCCCCCCCC(=O)O
|
312.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Guaianolides and derivatives
|
9-methyl-3,6-dimethylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
|
21093319 |
Click to see
CC1=CCC2C1C3C(CCC2=C)C(=C)C(=O)O3
|
230.30 |
unknown |
https://doi.org/10.1111/J.1365-2621.1972.TB03677.X |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2R,3R,4S,5S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
101682282 |
Click to see
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)OC8C(C(C(O8)CO)O)O)O)O)O
|
883.10 |
unknown |
via CMAUP database |
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2R,3R,4S,5S)-4-[(2S,3R,4S,5S)-3,4-diacetyloxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
53483549 |
Click to see
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)OC8C(C(C(O8)CO)OC(=O)C)OC(=O)C)O)O)O
|
967.10 |
unknown |
via CMAUP database |
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
21637697 |
Click to see
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)OC8C(C(C(CO8)O)O)O)O
|
883.10 |
unknown |
via CMAUP database |
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
24866792 |
Click to see
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)OC8C(C(C(CO8)OC(=O)C)O)O)O
|
925.10 |
unknown |
via CMAUP database |
(5aR,6R,7S,9aR)-6-[(2Z)-2-[(1R,3aR,8aR)-1-hydroxy-1,4,4,6-tetramethyl-3,3a,6,7,8,8a-hexahydro-2H-azulen-5-ylidene]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one
|
21588161 |
Click to see
CC1CCC2C(CCC2(C)O)C(C1=CCC3C4(CCC(=O)C(OC4CCC3(C)O)(C)C)C)(C)C
|
474.70 |
unknown |
https://doi.org/10.1021/NP0600999 |
3beta-[[2-O-(alpha-L-Rhamnopyranosyl)-3-O-(3-O-acetyl-alpha-L-arabinofuranosyl)-beta-L-arabinopyranosyl]oxy]-23-hydroxyoleana-12-ene-28-oic acid
|
53483550 |
Click to see
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)OC8C(C(C(O8)CO)OC(=O)C)O)O)O)O
|
925.10 |
unknown |
via CMAUP database |
Hederagenin
|
73299 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C
|
472.70 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
|
Oxalic Acid
|
971 |
Click to see
C(=O)(C(=O)O)O
|
90.03 |
unknown |
https://doi.org/10.1111/J.1365-2621.1972.TB03677.X |
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
|
Citric Acid
|
311 |
Click to see
C(C(=O)O)C(CC(=O)O)(C(=O)O)O
|
192.12 |
unknown |
https://doi.org/10.1111/J.1365-2621.1972.TB03677.X |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
Sucrose
|
5988 |
Click to see
C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
|
342.30 |
unknown |
https://doi.org/10.1111/J.1365-2621.1972.TB03677.X |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
|
D-(-)-Fructose
|
5984 |
Click to see
C(C(C(C(C(=O)CO)O)O)O)O
|
180.16 |
unknown |
https://doi.org/10.1111/J.1365-2621.1972.TB03677.X |
D-Fructose
|
2723872 |
Click to see
C1C(C(C(C(O1)(CO)O)O)O)O
|
180.16 |
unknown |
https://doi.org/10.1111/J.1365-2621.1972.TB03677.X |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
|
D-Glucose
|
5793 |
Click to see
C(C1C(C(C(C(O1)O)O)O)O)O
|
180.16 |
unknown |
https://doi.org/10.1111/J.1365-2621.1972.TB03677.X |
D(+)-Glucose
|
107526 |
Click to see
C(C(C(C(C(C=O)O)O)O)O)O
|
180.16 |
unknown |
https://doi.org/10.1111/J.1365-2621.1972.TB03677.X |
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
|
2(5H)-Furanone, 4-(hydroxymethyl)-
|
157706 |
Click to see
C1C(=CC(=O)O1)CO
|
114.10 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Furofurans
|
Lappaceolide B
|
11572139 |
Click to see
C1C(=O)OCC12COC3(C2OC(=O)C3)CO
|
228.20 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids
|
2-Propenoic acid, 3-phenyl-
|
8784 |
Click to see
C1=CC=C(C=C1)C=CC(=O)O
|
148.16 |
unknown |
https://doi.org/10.1021/NP0600999 |
Cinnamic acid
|
444539 |
Click to see
C1=CC=C(C=C1)C=CC(=O)O
|
148.16 |
unknown |
https://doi.org/10.1021/NP0600999 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
|
2-Hydroxycinnamic acid, (2E)-
|
637540 |
Click to see
C1=CC=C(C(=C1)C=CC(=O)O)O
|
164.16 |
unknown |
https://doi.org/10.1021/NP0600999 |
ortho-Hydroxycinnamic acid
|
11968 |
Click to see
C1=CC=C(C(=C1)C=CC(=O)O)O
|
164.16 |
unknown |
https://doi.org/10.1021/NP0600999 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins
|
Isoscopoletin
|
69894 |
Click to see
COC1=C(C=C2C=CC(=O)OC2=C1)O
|
192.17 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Depsides and depsidones
|
Jaboticabin
|
16083179 |
Click to see
COC(=O)CC1=C(C=C(C=C1OC(=O)C2=CC(=C(C=C2)O)O)O)O
|
334.28 |
unknown |
https://doi.org/10.1021/NP0600999 |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Kaempferol
|
5280863 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
|
286.24 |
unknown |
via CMAUP database |
Quercetin
|
5280343 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
|
302.23 |
unknown |
https://doi.org/10.1021/NP0600999 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid 3-O-p-coumaroyl glycosides
|
Tiliroside
|
5320686 |
Click to see
C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O
|
594.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
5378597 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
|
464.40 |
unknown |
https://doi.org/10.1021/NP0600999 |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
26339717 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
|
448.40 |
unknown |
https://doi.org/10.1021/NP0600999 |
Afzelin
|
5316673 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
|
432.40 |
unknown |
via CMAUP database |
Isoquercetin
|
5280804 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
|
464.40 |
unknown |
https://doi.org/10.1021/NP0600999 |
Myricetin 3-rhamnoside
|
5352000 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O
|
464.40 |
unknown |
https://doi.org/10.1021/NP0600999 |
Myricitrin
|
5281673 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O
|
464.40 |
unknown |
https://doi.org/10.1021/NP0600999 |
Quercetin 3-O-rhamnoside
|
5353915 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
|
448.40 |
unknown |
https://doi.org/10.1021/NP0600999 |
Quercitrin
|
5280459 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
|
448.40 |
unknown |
https://doi.org/10.1021/NP0600999 |
Rutin
|
5280805 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
|
610.50 |
unknown |
https://doi.org/10.1021/NP0600999 |
Vitamin P
|
5293655 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
|
610.50 |
unknown |
https://doi.org/10.1021/NP0600999 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
kaempferol 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside
|
21606527 |
Click to see
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
|
594.50 |
unknown |
via CMAUP database |
Quercetin 7-O-glucoside
|
5381351 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
|
464.40 |
unknown |
https://doi.org/10.1021/NP0600999 |
Quercimeritrin
|
5282160 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
|
464.40 |
unknown |
https://doi.org/10.1021/NP0600999 |
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
|
Corilagin
|
73568 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O
|
634.50 |
unknown |
via CMAUP database |
Ellagic Acid
|
5281855 |
Click to see
C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
|
302.19 |
unknown |
https://doi.org/10.1002/JSFA.5531 https://doi.org/10.1021/NP0600999 |